4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C19H21Br2N3O2 — CID 11691540

IUPAC4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(Br)c(Br)c3)CC2)cc1
InChIInChI=1S/C19H21Br2N3O2/c1-26-16-5-3-15(4-6-16)22-19(25)24-10-8-23(9-11-24)13-14-2-7-17(20)18(21)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyUYLKJYMHVVXHFB-UHFFFAOYSA-N
MW483.20 g/mol
LogP4.57
Rot. Bonds4

About 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 11691540) has the molecular formula C19H21Br2N3O2 and a molecular weight of 483.20 g/mol. Its IUPAC name is 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID11691540
Molecular FormulaC19H21Br2N3O2
Molecular Weight483.20 g/mol
Exact Mass481.00
IUPAC Name4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(Br)c(Br)c3)CC2)cc1
InChIInChI=1S/C19H21Br2N3O2/c1-26-16-5-3-15(4-6-16)22-19(25)24-10-8-23(9-11-24)13-14-2-7-17(20)18(21)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyUYLKJYMHVVXHFB-UHFFFAOYSA-N
XLogP4.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 11691540) is 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccc(Br)c(Br)c3)CC2)cc1.
What is the InChIKey of 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UYLKJYMHVVXHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2N3O2/c1-26-16-5-3-15(4-6-16)22-19(25)24-10-8-23(9-11-24)13-14-2-7-17(20)18(21)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 483.20 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dibromophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11691540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).